Hydrophobic Gating in nanochannels: understanding single channel mechanisms for designing better nanoscale sensors

Publicaciones

Voltage controlled iontronic switches: a computational method to predict electrowetting in hydrophobically gated nanopores

Autores: Paulo, Gonçalo; Gubbiotti, Alberto; Di Muccio, Giovanni; Giacomello, Alberto
Publicado en: International Journal of Smart and Nano Materials, Edición Volume 15, 2024 - Edición 1, 2024, Página(s) Pages 165-185, ISSN 1687-4129
Editor: Taylor & Francis Online
DOI: 10.1080/19475411.2023.2300332

Wetting and recovery of nano-patterned surfaces beyond the classical picture

Autores: Sara Marchio, Simone Meloni, Alberto Giacomello, Carlo Massimo Casciola
Publicado en: Nanoscale, Edición 11/44, 2019, Página(s) 21458-21470, ISSN 2040-3364
Editor: Royal Society of Chemistry
DOI: 10.1039/c9nr05105h

Recovering superhydrophobicity in nanoscale and macroscale surface textures

Autores: Alberto Giacomello, Lothar Schimmele, Siegfried Dietrich, Mykola Tasinkevych
Publicado en: Soft Matter, Edición 15/37, 2019, Página(s) 7462-7471, ISSN 1744-683X
Editor: Royal Society of Chemistry
DOI: 10.1039/c9sm01049a

The impact of secondary channels on the wetting properties of interconnected hydrophobic nanopores

Autores: Gonçalo Paulo, Alberto Gubbiotti, Yaroslav Grosu, Simone Meloni, Alberto Giacomello
Publicado en: Communications Physics, Edición 2023 Jan 27;6(1):21, 2023, ISSN 2399-3650
Editor: Springer Nature
DOI: 10.1038/s42005-023-01140-0

Changes in Ion Selectivity Following the Asymmetrical Addition of Charge to the Selectivity Filter of Bacterial Sodium Channels

Autores: Olena A. Fedorenko, Igor A. Khovanov, Stephen K. Roberts, Carlo Guardiani
Publicado en: Entropy, Edición 22/12, 2020, Página(s) 1390, ISSN 1099-4300
Editor: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/e22121390

Origin and control of ionic hydration patterns in nanopores

Autores: Miraslau L. Barabash, William A. T. Gibby, Carlo Guardiani, Alex Smolyanitsky, Dmitry G. Luchinsky, Peter V. E. McClintock
Publicado en: Communications Materials, Edición 2/1, 2021, ISSN 2662-4443
Editor: Nature
DOI: 10.1038/s43246-021-00162-x

Intrinsic and apparent slip at gas-enriched liquid–liquid interfaces: a molecular dynamics study

Autores: Emanuele Telari, Antonio Tinti, Alberto Giacomello
Publicado en: Journal of Fluid Mechanics, Edición 2022 May;938:A35, 2022, ISSN 1469-7645
Editor: Cambridge University Press
DOI: 10.1017/jfm.2022.162

Unveiling the gating mechanism of CRAC channel: a computational study

Autores: Carlo Guardiani, Delia Sun and Alberto Giacomello
Publicado en: Frontiers in Molecular Bioscience, 2021, ISSN 2296-889X
Editor: Frontiers Media SA
DOI: 10.3389/fmolb.2021.773388

Can One Predict a Drop Contact Angle

Autores: Marion Silvestrini; Marion Silvestrini; Antonio Tinti; Alberto Giacomello; Carolina Brito
Publicado en: Advanced Meterials Interfaces, Edición 2021 Nov;8(21):2101005, 2021, ISSN 2196-7350
Editor: Wiley Online Library
DOI: 10.1002/admi.202101005

Hydrophobically gated memristive nanopores for neuromorphic applications

Autores: Gonçalo Paulo, Ke Sun, Giovanni di Muccio, Alberto Gubbiotti, Blasco Morozzo della Rocca, Jia Geng, Giovanni Maglia, Mauro Chinappi, Alberto Giacomello
Publicado en: Nature Communications, Edición Article number: 8390 (2023), 2023, ISSN 2041-1723
Editor: Nature Publishing Group
DOI: 10.1038/s41467-023-44019-y

Mechanism of Water Intrusion into Flexible ZIF-8: Liquid Is Not Vapor

Autores: Eder Amayuelas, Marco Tortora, Luis Bartolomé, Josh David Littlefair, Gonçalo Paulo, Andrea Le Donne, Benjamin Trump, Andrey Andreevich Yakovenko, Mirosław Chorążewski, Alberto Giacomello, Paweł Zajdel, Simone Meloni, Yaroslav Grosu
Publicado en: Nano Letters, Edición 2023, 23, 12, 5430–5436, 2023, ISSN 1520-5126
Editor: American Chemical Society.
DOI: 10.1021/acs.nanolett.3c00235

Integrated Approach Including Docking, MD Simulations, and Network Analysis Highlights the Action Mechanism of the Cardiac hERG Activator RPR260243

Autores: Flavio Costa, Riccardo Ocello, Carlo Guardiani, Alberto Giacomello, Matteo Masetti
Publicado en: Journal of Chemical Information and Modeling, Edición 2023 Jul 28;63(15):4888-99, 2023, ISSN 0002-7863
Editor: American Chemical Society
DOI: 10.1021/acs.jcim.3c00596

Hierarchical macro-nanoporous metals for leakage-free high-thermal conductivity shape-stabilized phase change materials

Autores: Yaroslav Grosu, Yanqi Zhao, Alberto Giacomello, Simone Meloni, Jean-Luc Dauvergne, Artem Nikulin, Elena Palomo, Yulong Ding, Abdessamad Faik
Publicado en: Applied Energy, Edición 269, 2020, Página(s) 115088, ISSN 0306-2619
Editor: Pergamon Press Ltd.
DOI: 10.1016/j.apenergy.2020.115088

Molecular dynamics simulations suggest possible activation and deactivation pathways in the hERG channel

Autores: Flavio Costa, Carlo Guardiani, and Alberto Giacomello
Publicado en: Nature - Communications Biology, Edición 2022 Feb 24;5(1):165, 2022, ISSN 2399-3642
Editor: Springer Nature
DOI: 10.1038/s42003-022-03074-9

Bubble formation in nanopores: a matter of hydrophobicity, geometry, and size

Autores: Alberto Giacomello, Roland Roth
Publicado en: Advances in Physics: X, Edición 5/1, 2020, Página(s) 1817780, ISSN 2374-6149
Editor: Taylor and Francis Ltd.
DOI: 10.1080/23746149.2020.1817780

Gas-Induced Drying of Nanopores

Autores: Gaia Camisasca, Antonio Tinti, Alberto Giacomello
Publicado en: The Journal of Physical Chemistry Letters, Edición 11/21, 2020, Página(s) 9171-9177, ISSN 1948-7185
Editor: American Chemical Society
DOI: 10.1021/acs.jpclett.0c02600

Metastable elastocapillary systems with negative compressibility

Autores: Caprini, Davide; Battista, Francesco; Zajdel, Pawel; Di Muccio, Giovanni; Guardiani, Carlo; Trump, Benjamin; Carter, Marcus; Yakovenko, Andrey A.; Amayuelas, Eder; Bartolomé, Luis; Meloni, Simone; Grosu, Yaroslav; Casciola, Carlo Massimo; Giacomello, Alberto
Publicado en: ArXiv.org, 2023, ISSN 2331-8422
Editor: Cornell University
DOI: 10.48550/arxiv.2310.07580

Optimization of the wetting-drying characteristics of hydrophobic metal organic frameworks via crystallite size: The role of hydrogen bonding between intruded and bulk liquid

Autores: Liam J.W. Johnson, Gonçalo Paulo, Luis Bartolomé, Eder Amayuelas, Alberto Gubbiotti, Diego Mirani, Andrea Le Donne, Gabriel A. López, Giulia Grancini, Paweł Zajdel, Simone Meloni, Alberto Giacomello, Yaroslav Grosu
Publicado en: Journal of Colloid and Interface Science Volume 645, September 2023, Pages 775-783, Edición Volume 645, September 2023, Pages 775-783, 2023, ISSN 1095-7103
Editor: Elsevier Ltd
DOI: 10.1016/j.jcis.2023.04.059

Correlation, response and entropy approaches to allosteric behaviors: a critical comparison on the ubiquitin case

Autores: F. Cecconi, G. Costantini, C. Guardiani, M. Baldovin, A. Vulpiani
Publicado en: Physical Biology, Edición Volume 20, Number 5, 2023 Jun 26, 2023, ISSN 1478-3967
Editor: Institute of Physics Publishing
DOI: 10.1088/1478-3975/ace1c5

Classical nucleation of vapor between hydrophobic plates

Autores: Antonio Tinti, Alberto Giacomello, Simone Meloni, Carlo Massimo Casciola
Publicado en: The Journal of Chemical Physics, Edición 2023 Apr 7;158(13), 2023, ISSN 1089-7690
Editor: AIP Publishing
DOI: 10.1063/5.0140736

What keeps nanopores boiling

Autores: Alberto Giacomello
Publicado en: The Journal of Chemical Physics, Edición Volume 159, Edición 11, 21 September 2023, 2023, ISSN 1089-7690
Editor: AIP Publishing
DOI: 10.1063/5.0167530

Structure and dynamics of water confined in cylindrical nanopores with varying hydrophobicity

Autores: Antonio Tinti, Gaia Camisasca, Alberto Giacomello
Publicado en: Philosophical Transactions of the Royal Society A, Edición 379/2208, 2021, Página(s) 20200403, ISSN 1471-2962
Editor: Royal Society Publishing
DOI: 10.1098/rsta.2020.0403

Computational methods and theory for ion channel research

Autores: C. Guardiani, F. Cecconi, L. Chiodo, G. Cottone, P. Malgaretti, L. Maragliano, M.L. Barabash, G.
Publicado en: Advances in Physics: X, Edición 022 Dec 31;7(1):2080587, 2022, ISSN 2374-6149
Editor: Taylor & Francis Grou
DOI: 10.1080/23746149.2022.2080587

Electroosmosis in nanopores: computational methods and technological applications

Autores: Alberto Gubbiotti, Matteo Baldelli, Giovanni Di Muccio, Paolo Malgaretti, Sophie Marbach, and Mauro Chinappi
Publicado en: Advances in Physics: X, Edición 2022 Dec 31;7(1):2036638, 2022, ISSN 2374-6149
Editor: Taylor & Francis Group
DOI: 10.1080/23746149.2022.2036638

Exploring K v 1.2 Channel Inactivation Through MD Simulations and Network Analysis

Autores: Flavio Costa, Carlo Guardiani, Alberto Giacomello
Publicado en: Frontiers in Molecular Biosciences, Edición 2021 Dec 20;8:784276, 2021, ISSN 2296-889X
Editor: Frontiers Media SA
DOI: 10.3389/fmolb.2021.784276

Noncanonical electromechanical coupling paths in cardiac hERG potassium channel

Autores: Carlos A. Z. Bassetto Jr, Flavio Costa, Carlo Guardiani, Francisco Bezanilla, Alberto Giacomello
Publicado en: Nature Communications, Edición 2023 Feb 27;14(1):1110, 2023, ISSN 2041-1723
Editor: Nature Publishing Group
DOI: 10.1038/s41467-023-36730-7

The interplay among gas, liquid and solid interactions determines the stability of surface nanobubbles

Autores: Marco Tortora, Simone Meloni, Beng Hau Tan, Alberto Giacomello, Claus-Dieter Ohl, Carlo Massimo Casciola
Publicado en: Nanoscale, Edición 12/44, 2020, Página(s) 22698-22709, ISSN 2040-3364
Editor: Royal Society of Chemistry
DOI: 10.1039/d0nr05859a

Application of a Statistical and Linear Response Theory to Multi-Ion Na+ Conduction in NaChBac

Autores: William A. T. Gibby, Olena A. Fedorenko, Carlo Guardiani, Miraslau L. Barabash, Thomas Mumby, Stephen K. Roberts, Dmitry G. Luchinsky, Peter V. E. McClintock
Publicado en: Entropy, Edición 23/2, 2021, Página(s) 249, ISSN 1099-4300
Editor: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/e23020249

An atomistically informed multiscale approach to the intrusion and extrusion of water in hydrophobic nanopores

Autores: Gonçalo Paulo, Alberto Gubbiotti, Alberto Giacomello
Publicado en: Journal of Chemical Physics, Edición 2023 May 28;158(20), 2023, ISSN 0021-9606
Editor: American Institute of Physics
DOI: 10.1063/5.0147647

Grafting heterogeneities rule water intrusion and extrusion in nanopores

Autores: Sonia Cambiaso, Fabio Rasera, Antonio Tinti, Davide Bochicchio, Yaroslav Grosu,,Giulia Rossi, Alberto Giacomello,
Publicado en: arXiv, Edición arXiv:2305.15250. 2023 May 24, 2023, ISSN 2331-8422
Editor: Cornell University
DOI: 10.48550/arxiv.2305.15250

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